Geometry & MOs

Info

ID:	404790
PubChem CID:	135070923
Reduced:	N3O4C30H45 (1)
Stoich.:	A3B4C30D45 (1)
Weight, g/mol:	633.377786
ΔH_f, kcal/mol:	-82.09
Dipole, Da:	13.1
IP(EA), eV:	-7.25(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-4-[1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)heptyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]but-2-enoate

Drug info:

PubChemData

Smile

CCCCCC[C@H]1[C@@]23[C@@H](CN1C(C)C)[C@@H](C(O2)(C(=N3)CC4=CC=CC=C4)N5CCOCC5)C(=O)OCC

DOS

IR

Vibrations